1. Repositorio Institucional de la Universidad de Guanajuato
  2. Tesis
  3. Tesis de Posgrado
  4. CGU - Campus Guanajuato. Tesis de Posgrado
  5. DCNE - División de Ciencias Naturales y Exactas. Tesis de Posgrado
  6. Maestría en Ciencias (Química)
Please use this identifier to cite or link to this item: http://repositorio.ugto.mx/handle/20.500.12059/4558
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dc.rights.licensehttp://creativecommons.org/licenses/by-nc-nd/4.0es_MX
dc.contributorJOSE OSCAR CARLOS JIMENEZ HALLA-
dc.creatorOSCAR FRANCISCO GONZALEZ BELMAN-
dc.date.accessioned2021-04-14T21:35:34Z-
dc.date.available2021-04-14T21:35:34Z-
dc.date.issued2018-
dc.identifier.urihttp://repositorio.ugto.mx/handle/20.500.12059/4558-
dc.language.isoenges_MX
dc.publisherUniversidad de Guanajuatoes_MX
dc.rightsinfo:eu-repo/semantics/openAccesses_MX
dc.titleThe Role of the Metal in the Dual-Metal Catalyzed Hydrophenoxylation of Alkyneses_MX
dc.typeinfo:eu-repo/semantics/masterThesises_MX
dc.creator.idinfo:eu-repo/dai/mx/cvu/780661es_MX
dc.subject.ctiinfo:eu-repo/classification/cti/2es_MX
dc.subject.ctiinfo:eu-repo/classification/cti/23-
dc.subject.ctiinfo:eu-repo/classification/cti/2306-
dc.subject.keywordsHydrophenoxylationes_MX
dc.subject.keywordsAlkyneses_MX
dc.subject.keywordsDual-Metal Catalyzedes_MX
dc.subject.keywordsMetales_MX
dc.contributor.idinfo:eu-repo/dai/mx/cvu/42766es_MX
dc.contributor.roledirectores_MX
dc.type.versioninfo:eu-repo/semantics/draftes_MX
dc.contributor.oneAlbert Poater-
dc.contributor.twoJUVENCIO ROBLES GARCIA-
dc.contributor.idone"info:eu-repo/dai/mx/orcid/0000-0002-8997-2599 "es_MX
dc.contributor.idtwoinfo:eu-repo/dai/mx/cvu/5350es_MX
dc.contributor.roleonedirectores_MX
dc.contributor.roletwodirectores_MX
dc.description.abstractEnglishThis thesis presents the computational-mechanistic study of the hydrophenoxylation of diphenylacetylene assisted by [Cu(NHC)] and [Au(NHC)] catalysts. In such process, the first reaction step is the generation of the nucleophile-electrophile couple: PhO-[M(NHC)] and PhCCPh-[M(NHC)]. This couple is responsible of the reaction rate, which is defined by the nucleophilic attack in the rate determining step (rds) such as 2016 Poater’s proposal. Thus, we performed the study of the metal effect in the rds exchanging copper-, silver- and gold-IPr catalysts in the pre-activated species. Also, the ligand effect in the Cu/Au catalysis was done using NHC ligands such as IMe, IMes, SIMes and IPR*. These studies allowed us to give a clear explanation in the preference for hetero-dual-metal catalysis instead of homo-dual and assessing steric hindrance effects in the rds. Furthermore, in order to improve and expand the dual catalysis field, we introduced CAAC and PSC ligands in our study.-
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